SCHEMBL11926432

SCHEMBL11926432

COc1ccc(COc2cc(-c3cncn3C)nc(-c3nc(C(F)(F)F)cs3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.35
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
TP53 P04637 2/20 0.33
MAPT P10636 2/20 0.33
PTGER1 P34995 1/20 0.33
PDPK1 O15530 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RORC P51449 2/20 0.33
SLC2A1 P11166 1/20 0.33
CYP19A1 P11511 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL577788 0.83 KMT2A (0.39) PDE2AKMT2AALDH1A1MEN1KDM4E
SCHEMBL578098 0.83 MAPT (0.37) PDE2AKMT2AALDH1A1MEN1KDM4E
SCHEMBL578132 0.82 CSF1R (0.47) ALDH1A1KDM4ETP53MAPTHPGD
SCHEMBL578162 0.82 PDE2A (0.40) PDE2AKMT2AALDH1A1MEN1KDM4E
SCHEMBL14706478 0.81 TGFBR1 (0.34) PDPK1
SCHEMBL577955 0.81 SRC (0.39) PDE2AKMT2AMEN1HDAC1HDAC8
SCHEMBL577707 0.81 PDE2A (0.39) PDE2AKMT2AMEN1HDAC1HDAC8
SCHEMBL577666 0.81 PTGDR (0.40) PDE2AKMT2AMEN1KDM4EHDAC1
SCHEMBL578370 0.81 ADORA2A (0.43) PDE2AKMT2AMEN1KDM4ETP53
SCHEMBL577781 0.81 PDE2A (0.38) PDE2AKMT2AALDH1A1MEN1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353100-B2 Macrocyclic serine protease inhibitors, pharmaceutical compositions thereof, and their use for treating HCV infections IDENIX PHARMACEUTICALS LLC (US) 2016-05-31 US disclosed
EP-2461811-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS LLC (US) 2016-04-20 EP disclosed
EP-2461811-B1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS LLC (US) 2016-04-20 EP disclosed
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120207703-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING HCV INFECTIONS IDENIX PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120207703-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE FOR TREATING HCV INFECTIONS PRSS1, SERPINB1, SPINT2 PDE2A 2659/4885KMT2A 4239/4885ALDH1A1 2446/4885
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PDE2A 3476/4885KMT2A 4323/4885ALDH1A1 1913/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PDE2A 3476/4885KMT2A 4323/4885ALDH1A1 1913/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 PDE2A 3476/4885KMT2A 4323/4885ALDH1A1 1913/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.